6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 2699-0125 |
| Compound Name: | 6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 557.73 |
| Molecular Formula: | C31 H31 N3 O3 S2 |
| Smiles: | CCCCc1ccc(cc1)C(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccccc1OC)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6683 |
| logD: | 5.9502 |
| logSw: | -5.7274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.119 |
| InChI Key: | OCTVXCFMRPRUQR-LJAQVGFWSA-N |